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CHEBI:204785 - Saquayamycin J

ChEBI IDCHEBI:204785
ChEBI NameSaquayamycin J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H52O16
Net Charge0
Average Mass824.873
Monoisotopic Mass824.32554
SMILESC[C@@H]1O[C@H]2O[C@@H]3[C@@H](C)O[C@@H](c4ccc5c(c4O)C(=O)C4=C(C5=O)[C@@]5(O)C(=O)C[C@](C)(O[C@H]6CC[C@H](O[C@H]7CC[C@H](O)[C@H](C)O7)[C@H](C)O6)C[C@@]5(O)C=C4)C[C@H]3O[C@H]2CC1=O
InChIInChI=1S/C43H52O16/c1-18-25(44)8-10-32(53-18)57-27-9-11-33(54-20(27)3)59-41(5)16-31(46)43(51)35-24(12-13-42(43,50)17-41)37(48)34-23(38(35)49)7-6-22(36(34)47)28-15-29-39(21(4)52-28)58-40-30(56-29)14-26(45)19(2)55-40/h6-7,12-13,18-21,25,27-30,32-33,39-40,44,47,50-51H,8-11,14-17H2,1-5H3/t18-,19-,20-,21+,25-,27-,28+,29+,30-,32-,33-,39+,40-,41-,42-,43-/m0/s1
InChIKeyCVLVPRNGMHOWPC-QEBONLAISA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (22758660)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
Saquayamycin J (CHEBI:204785) is a angucycline (CHEBI:48130)
IUPAC Name 
(3R,4aR,12bS)-9-[(1R,3R,5S,8S,10R,12R,14R)-5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl]-4a,8,12b-trihydroxy-3-[(2S,5S,6S)-5-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
Manual XrefsDatabases
28514167ChemSpider